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    CAS 127199-45-5

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 127199-45-5, (s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane, (s)-7-n-boc-amino-5-aza-spiro[2.4]heptane, Tert-butyl n-[(7s)-5-azaspiro[2.4]heptan-7-yl]carbamate, Carbamic acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester, Carbamic acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9ci)
    Molecular Formula
    C11H20N2O2
    Molecular Weight
    212.29  g/mol
    InChI Key
    CGEBPOMWRHSMLI-MRVPVSSYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate
    2.1.2 InChI
    InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11/h8,12H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
    2.1.3 InChI Key
    CGEBPOMWRHSMLI-MRVPVSSYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC1CNCC12CC2
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@@H]1CNCC12CC2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 127199-45-5

    2. (s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane

    3. (s)-7-n-boc-amino-5-aza-spiro[2.4]heptane

    4. Tert-butyl N-[(7s)-5-azaspiro[2.4]heptan-7-yl]carbamate

    5. Carbamic Acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester

    6. Carbamic Acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester (9ci)

    7. (s)-n-boc-5-azaspiro[2.4]heptan-7-amine

    8. (s)-(5-aza-spiro[2.4]hept-7-yl)-carbamic Acid Tert-butyl Ester

    9. (s)-7-(boc-amino)-5-azaspiro[2.4]heptane

    10. (7s)-7-tert-butoxycarbonylamino-5-azaspiro(2.4)heptane

    11. (7s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane

    12. Mfcd09955395

    13. Schembl2738139

    14. Amsp00024

    15. Dtxsid40438560

    16. Bcp10392

    17. Zinc22007245

    18. Akos016842277

    19. Ac-8342

    20. Am85538

    21. Cs-w005356

    22. As-20033

    23. 199b455

    24. (s)-tert-butyl5-azaspiro[2.4]heptan-7-ylcarbamate

    25. J-502290

    26. J-519986

    27. 7-(s)-t-butoxycarbonylamino-5-azaspiro[2.4]heptane

    28. Tert-butyl (7s)-5-azaspiro[2.4]heptan-7-ylcarbamate

    29. 7-(s)-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane

    30. Tert-butyl (s)-(5-azaspiro[2.4]heptan-7-yl)carbamate

    31. 7-(s)-[tert-butoxycarbonylamino]-5-azaspiro[2.4]heptane

    32. (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester

    33. (s)-(5-aza-spiro2.4hept-7-yl)-carbamic Acid Tert-butyl Ester

    34. 2-methyl-2-propanyl (7s)-5-azaspiro[2.4]hept-7-ylcarbamate

    35. (s)-(5-azaspiro[2.4]hept-7-yl)-carbamic Acid Tert-butyl Ester

    36. (s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane, Aldrichcpr

    37. Carbamic Acid, N-(7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester

    38. N-[(s)-5-azaspiro[2.4]heptan-7beta-yl]carbamic Acid Tert-butyl Ester

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 212.29 g/mol
    Molecular Formula C11H20N2O2
    XLogP30.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass212.152477885 g/mol
    Monoisotopic Mass212.152477885 g/mol
    Topological Polar Surface Area50.4 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity266
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1